pyglenn — Thermochemical Properties Calculator

pyglenn computes \(C_p(T)\), \(H^\circ(T)\), and \(S^\circ(T)\) from NASA polynomial coefficients stored in a SQLite database, converted from FORTRAN thermo.inp files.

Quick Start

Installation

pip install pyglenn

Or via conda:

conda install conda-forge::pyglenn

Basic Usage

The database is bundled — no manual setup required:

from pyglenn import ThermochemicalCalculator

with ThermochemicalCalculator() as calc:
    result = calc.calculate_properties(
        calc.get_available_species('CH4', exact_match=True)[0].id, 298.15
    )
    print(f"Cp = {result.cp:.3f} J/mol·K")
    print(f"H° = {result.h_relative:.3f} J/mol")
    print(f"S° = {result.s:.3f} J/mol·K")

Features

Compute \(C_p(T)\), \(H^\circ(T)\), \(S^\circ(T)\) for any species
SQLite database bundled with 2,035 species, 3,779 temperature intervals — no setup needed
CLI interface for quick lookups
Temperature range validation

Cheat Sheet

Download the one-page quick reference:

pyglenn-cheat-sheet.pdf

Citing

If you use pyglenn in your research, please cite it as:

@software{goncalves_leao_junior_2026_21324586,
  author    = {Gonçalves Leão Junior, Reginaldo},
  title     = {pyglenn: A Python Toolkit for Thermochemical
               Properties Calculation from NASA Polynomials},
  month     = jul,
  year      = 2026,
  publisher = {Zenodo},
  doi       = {10.5281/zenodo.21324586},
  url       = {https://doi.org/10.5281/zenodo.21324586},
}

Author:: Dr. Reginaldo G. Leão Jr. — prof.reginaldo.leao@gmail.com
GitHub:: github.com/ProfLeao/pyglenn
Documentation:: profleao.github.io/pyglenn